(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one

C17H16Cl2N2O3 — CID 124503912

IUPAC(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C17H16Cl2N2O3/c1-23-13-6-3-9(7-14(13)24-2)16-15(20)17(22)21(16)10-4-5-11(18)12(19)8-10/h3-8,15-16H,20H2,1-2H3/t15-,16-/m0/s1
InChIKeyUDEGJDCFAXNPJD-HOTGVXAUSA-N
MW367.23 g/mol
LogP3.43
Rot. Bonds4

About (3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one

(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one (PubChem CID 124503912) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is (3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
PubChem CID124503912
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
SMILESCOc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1OC
InChIInChI=1S/C17H16Cl2N2O3/c1-23-13-6-3-9(7-14(13)24-2)16-15(20)17(22)21(16)10-4-5-11(18)12(19)8-10/h3-8,15-16H,20H2,1-2H3/t15-,16-/m0/s1
InChIKeyUDEGJDCFAXNPJD-HOTGVXAUSA-N
XLogP3.43
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 124504026
3-amino-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 102537030
(3R,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(4-methoxyphenyl)azetidin-2-one
CID 124503279
(3R,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124503922
(3S,4R)-3-amino-4-(3,4-dimethoxyphenyl)-1-(3-methoxyphenyl)azetidin-2-one
CID 124503855
(3S,4R)-3-amino-1-(3-chloro-4-methoxyphenyl)-4-(3-methoxyphenyl)azetidin-2-one
CID 124504031
(3S,4R)-3-amino-1-(3,4-dichlorophenyl)-4-(4-ethylphenyl)azetidin-2-one
CID 124503943
4,5,6,7-tetrachloro-2-[(3R,4S)-1-(3,4-dichlorophenyl)-2-oxo-4-(3,4,5-trimethoxyphenyl)azetidin-3-yl]isoindole-1,3-dione
CID 99668771
4,5,6,7-tetrachloro-2-[(2R,3S)-2-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)-4-oxoazetidin-3-yl]isoindole-1,3-dione
CID 98122337
(3R,4S)-3-amino-1,4-bis(3-methoxyphenyl)azetidin-2-one
CID 124503866
3-amino-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]azetidin-2-one
CID 102536846
(3R,4S)-3-(4-chloro-2-methylphenoxy)-4-(3,4-dimethoxyphenyl)-1-(3,4-dimethylphenyl)azetidin-2-one
CID 1046306

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one?
The IUPAC name of (3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one (CID 124503912) is (3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one is COc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(Cl)c(Cl)c2)cc1OC.
What is the InChIKey of (3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one?
The InChIKey is UDEGJDCFAXNPJD-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-23-13-6-3-9(7-14(13)24-2)16-15(20)17(22)21(16)10-4-5-11(18)12(19)8-10/h3-8,15-16H,20H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of (3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one?
(3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one has a molecular weight of 367.23 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-amino-1-(3,4-dichlorophenyl)-4-(3,4-dimethoxyphenyl)azetidin-2-one is sourced from PubChem (CID 124503912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).